N-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C29H27FN4O3 — CID 11271956

IUPACN-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4ccnc5ccccc45)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C29H27FN4O3/c1-19(35)33-17-24-18-34(29(36)37-24)23-10-11-25(27(30)14-23)21-8-6-20(7-9-21)15-31-16-22-12-13-32-28-5-3-2-4-26(22)28/h2-14,24,31H,15-18H2,1H3,(H,33,35)/t24-/m0/s1
InChIKeyCORFMPQUDCDHJY-DEOSSOPVSA-N
MW498.56 g/mol
LogP4.79
Rot. Bonds8

About N-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11271956) has the molecular formula C29H27FN4O3 and a molecular weight of 498.56 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11271956
Molecular FormulaC29H27FN4O3
Molecular Weight498.56 g/mol
Exact Mass498.21
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4ccnc5ccccc45)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C29H27FN4O3/c1-19(35)33-17-24-18-34(29(36)37-24)23-10-11-25(27(30)14-23)21-8-6-20(7-9-21)15-31-16-22-12-13-32-28-5-3-2-4-26(22)28/h2-14,24,31H,15-18H2,1H3,(H,33,35)/t24-/m0/s1
InChIKeyCORFMPQUDCDHJY-DEOSSOPVSA-N
XLogP4.79
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(Dimethylamino)ethyl]-3-[3-fluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286284
ATM Inhibitor-3
CID 163286301
8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 10432325
N-[[(5S)-3-[3-fluoro-4-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404000
(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-3-yl phenylcarbamate
CID 44193143
(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-3-yl methyl(phenyl)carbamate
CID 44193242
(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-3-yl 4-(dimethylamino)phenylcarbamate
CID 44193440
[(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-3-yl] piperidine-1-carboxylate
CID 53326537
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 135141503
1-[2-(Dimethylamino)ethyl]-3-[3-fluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methylphenyl]urea
CID 163286302
1-[2,3-Difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 163286347
8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(naphthalen-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 10344101

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11271956) is N-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4ccnc5ccccc45)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is CORFMPQUDCDHJY-DEOSSOPVSA-N. The full InChI is InChI=1S/C29H27FN4O3/c1-19(35)33-17-24-18-34(29(36)37-24)23-10-11-25(27(30)14-23)21-8-6-20(7-9-21)15-31-16-22-12-13-32-28-5-3-2-4-26(22)28/h2-14,24,31H,15-18H2,1H3,(H,33,35)/t24-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 498.56 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11271956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).